![1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/392/392696-02-5.png)
1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 392696-02-5) is a chemical compound with molecular formula C26H20ClN3O8 and molecular weight 537.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H20ClN3O8 |
|---|---|
| Molecular Weight | 537.09 g/mol |
| LogP | 4.5979 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.0939 |
| Heavy Atoms | 38 |
| Complexity | 1452.5651 |
Chemical Identifiers
| CAS Number | 392696-02-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl |
Product Overview
1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 392696-02-5), with molecular formula C26H20ClN3O8 and molecular weight 537.09 g/mol. IUPAC: 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 4.5979 indicates that 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.31 Ų indicates high polarity, suggesting 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is 392696-02-5.
What is the molecular formula of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is C26H20ClN3O8.
What is the molecular weight of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is 537.09 g/mol.
Where can I buy 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.